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(2-Methyl-1-Propen-1-Yl)Benzene
CAS: 768-49-0 | C10H12
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
768-49-0
Molecular Formula:
C10H12
Molecular Weight:
132.206 g/mol
Names and Synonyms:
(2-Methyl-1-Propen-1-Yl)Benzene
Benzene, (2-methyl-1-propen-1-yl)-
Benzene, (2-methylpropenyl)-
Benzene, (2-methyl-1-propenyl)-
Benzene, isobutenyl-
(2-Methyl-1-propen-1-yl)benzene
1-Propene, 2-methyl-1-phenyl-
1-Phenyl-2-methyl-1-propene
β,β-Dimethylstyrene
1,1-Dimethyl-2-phenylethylene
2-Methyl-1-phenyl-1-propene
(2-Methylpropenyl)benzene
1-Phenyl-2-methylpropene
β-Methylisoallylbenzene
2-Methyl-1-phenylpropene
2-Benzylidenepropane
Isobutenylbenzene
2-Methyl-3-phenyl-2-propene
β-Dimethylstyrene
NSC 163349
(2-Methyl-1-propenyl)benzene
Identifiers:
SMILES:
CC(C)=Cc1ccccc1
InChI:
InChI=1S/C10H12/c1-9(2)8-10-6-4-3-5-7-10/h3-8H,1-2H3
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
All Properties
Comprehensive physical and chemical properties
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 132.206 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 132.093900384 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 10 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 0 count | RDKit |
| Hydrogen Bond Donors | 0 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 1 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 1 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 0.0 Ų | RDKit |
Physical Properties
| Property | Value | Source |
|---|---|---|
| LogP | 3.1098000000000017 | RDKit |
| molecular_mass | 132.21 g/mol | Legacy Database |
| density | 0.90 g/cm³ | Legacy Database |
| cas-boiling-point | 99 °C None | Legacy Database |
| cas-canonical-smile | C=1C=CC(=CC1)C=C(C)C None | Legacy Database |
| cas-density | 0.9006 g/cm3 @ Temp: 20 °C None | Legacy Database |
| cas-inchi | InChI=1S/C10H12/c1-9(2)8-10-6-4-3-5-7-10/h3-8H,1-2H3 None | Legacy Database |
| cas-inchi-key | InChIKey=BTOVVHWKPVSLBI-UHFFFAOYSA-N None | Legacy Database |
| cas-melting-point | -52--51 °C None | Legacy Database |
| cas-name | (2-Methyl-1-propen-1-yl)benzene None | Legacy Database |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 45.76700000000003 | RDKit |
